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6,8-Diamino-2,3-dihydro-2-phenyl-4-(4'-nitrostyryl)-1H-pyrimido[4,5-b]-[1,4]diazepine
SpectraBase Compound ID IKDm6IKOZGO
InChI InChI=1S/C21H19N7O2/c22-17-12-18(23)26-21-19(25-17)16(24-20(27-21)14-4-2-1-3-5-14)11-8-13-6-9-15(10-7-13)28(29)30/h1-12,20,24H,23H2,(H2,22,25)(H,26,27)/b11-8+
InChIKey LCDLEQSACRIZCX-DHZHZOJOSA-N
Mol Weight 401.43 g/mol
Molecular Formula C21H19N7O2
Exact Mass 401.160023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 334gNqUoF0x
Name 6,8-Diamino-2,3-dihydro-2-phenyl-4-(4'-nitrostyryl)-1H-pyrimido[4,5-b]-[1,4]diazepine
Alternate Name(s) 4-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-2,3-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-diamine 6-Amino-4-[(E)-2-(4-nitrophenyl)ethenyl]-2-phenyl-2,3-dihydro-1H-pyrimido[4,5-b][1,4]diazepin-8-ylamine
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Formula C21H19N7O2
InChI InChI=1S/C21H19N7O2/c22-17-12-18(23)26-21-19(25-17)16(24-20(27-21)14-4-2-1-3-5-14)11-8-13-6-9-15(10-7-13)28(29)30/h1-12,20,24H,23H2,(H2,22,25)(H,26,27)/b11-8+
InChIKey LCDLEQSACRIZCX-DHZHZOJOSA-N
Molecular Weight 401.430 g/mol
SMILES NC1=CC(=NC=2C(=N1)NC(NC2\C=C\c1ccc(N(=O)=O)cc1)c1ccccc1)N
SPLASH splash10-0w29-4381900000-5e978a73926ef638fd88
Source of Spectrum Y-36-936-3
Wiley ID 762497